2-methoxyethyl 5-aminocarbonyl-2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-2-[2-(azepan-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+]2CCCCCC2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+]2CCCCCC2)C(=O)N

InChI

InChI=1S/C18H27N3O5S/c1-12-14(18(24)26-10-9-25-2)17(27-15(12)16(19)23)20-13(22)11-21-7-5-3-4-6-8-21/h3-11H2,1-2H3,(H2,19,23)(H,20,22)/p+1